Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CISD2 | Q8N5K1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17187612 | 1.00 | CYP3A4 (0.50) | CYP3A4ACHEHPGDPOLBCA12 | |
| SCHEMBL21360379 | 0.80 | CYP2C9 (0.40) | CYP3A4ACHEDRD3NPSR1CISD2 | |
| SCHEMBL11766398 | 0.80 | CYP3A4 (0.53) | CYP3A4ACHEHPGDPOLBCA12 | |
| SCHEMBL19677594 | 0.78 | CYP3A4 (0.56) | CYP3A4ACHEHPGDPOLBCA12 | |
| SCHEMBL6828033 | 0.78 | CYP3A4 (0.51) | CYP3A4ACHEHPGDPOLBCA12 | |
| SCHEMBL29576939 | 0.78 | CYP3A4 (0.45) | CYP3A4ACHEHPGDPOLBDRD3 | |
| SCHEMBL8730406 | 0.78 | CYP3A4 (0.45) | CYP3A4ACHEHPGDPOLBDRD3 | |
| SCHEMBL610098 | 0.78 | CYP3A4 (0.55) | CYP3A4ACHEHPGDPOLBCA12 | |
| SCHEMBL7553261 | 0.77 | CYP3A4 (0.50) | CYP3A4ACHEHPGDPOLBCA12 | |
| SCHEMBL4630661 | 0.77 | CYP3A4 (0.50) | CYP3A4ACHEHPGDPOLBCA12 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109180483-B | Method for synthesizing hexamethyl terphenyl dimethyl ester | 上海博栋化学科技有限公司 | 2022-04-19 | — | — | CN | claimed |
| CN-109180483-B | Method for synthesizing hexamethyl terphenyl dimethyl ester | 上海博栋化学科技有限公司 | 2022-04-19 | — | — | CN | disclosed |